Found 34 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14774
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24) | PDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023412
(CHEMBL3327321)Show SMILES FC(F)Oc1ccc(cc1OCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023416
(CHEMBL3327325)Show SMILES FC(F)Oc1ccc(cc1OCCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C21H20Cl2F2N2O5S/c22-13-10-26-11-14(23)18(13)27-19(28)12-3-4-15(32-21(24)25)16(9-12)30-6-1-2-8-33-17-5-7-31-20(17)29/h3-4,9-11,17,21H,1-2,5-8H2,(H,26,27,28) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023414
(CHEMBL3327323)Show SMILES FC(F)Oc1ccc(cc1OCCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023417
(CHEMBL3327326)Show SMILES OCCC(SCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C21H22Cl2F2N2O6S/c22-13-10-26-11-14(23)18(13)27-19(29)12-3-4-15(33-21(24)25)16(9-12)32-7-1-2-8-34-17(5-6-28)20(30)31/h3-4,9-11,17,21,28H,1-2,5-8H2,(H,30,31)(H,26,27,29) | PDB
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PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023416
(CHEMBL3327325)Show SMILES FC(F)Oc1ccc(cc1OCCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C21H20Cl2F2N2O5S/c22-13-10-26-11-14(23)18(13)27-19(28)12-3-4-15(32-21(24)25)16(9-12)30-6-1-2-8-33-17-5-7-31-20(17)29/h3-4,9-11,17,21H,1-2,5-8H2,(H,26,27,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023389
(CHEMBL3327315)Show SMILES FC(F)Oc1ccc(cc1OCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28) | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023413
(CHEMBL3327322)Show SMILES OCCC(SCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C20H20Cl2F2N2O6S/c21-12-9-25-10-13(22)17(12)26-18(28)11-2-3-14(32-20(23)24)15(8-11)31-6-1-7-33-16(4-5-27)19(29)30/h2-3,8-10,16,20,27H,1,4-7H2,(H,29,30)(H,25,26,28) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023412
(CHEMBL3327321)Show SMILES FC(F)Oc1ccc(cc1OCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27) | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023414
(CHEMBL3327323)Show SMILES FC(F)Oc1ccc(cc1OCCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29) | PDB
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PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023403
(CHEMBL3327316)Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl |r| Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023417
(CHEMBL3327326)Show SMILES OCCC(SCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C21H22Cl2F2N2O6S/c22-13-10-26-11-14(23)18(13)27-19(29)12-3-4-15(33-21(24)25)16(9-12)32-7-1-2-8-34-17(5-6-28)20(30)31/h3-4,9-11,17,21,28H,1-2,5-8H2,(H,30,31)(H,26,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023413
(CHEMBL3327322)Show SMILES OCCC(SCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C20H20Cl2F2N2O6S/c21-12-9-25-10-13(22)17(12)26-18(28)11-2-3-14(32-20(23)24)15(8-11)31-6-1-7-33-16(4-5-27)19(29)30/h2-3,8-10,16,20,27H,1,4-7H2,(H,29,30)(H,25,26,28) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023407
(CHEMBL3327317)Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl |r| Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023403
(CHEMBL3327316)Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl |r| Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023389
(CHEMBL3327315)Show SMILES FC(F)Oc1ccc(cc1OCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28) | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023419
(CHEMBL3327328)Show SMILES COC(=O)CNCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C19H19Cl2F2N3O5/c1-29-16(27)10-24-5-2-6-30-15-7-11(3-4-14(15)31-19(22)23)18(28)26-17-12(20)8-25-9-13(17)21/h3-4,7-9,19,24H,2,5-6,10H2,1H3,(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023419
(CHEMBL3327328)Show SMILES COC(=O)CNCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C19H19Cl2F2N3O5/c1-29-16(27)10-24-5-2-6-30-15-7-11(3-4-14(15)31-19(22)23)18(28)26-17-12(20)8-25-9-13(17)21/h3-4,7-9,19,24H,2,5-6,10H2,1H3,(H,25,26,28) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023407
(CHEMBL3327317)Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl |r| Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023418
(CHEMBL3327327)Show SMILES [O-][n+]1cc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCCCNC3CCOC3=O)c2)c(Cl)c1 Show InChI InChI=1S/C20H19Cl2F2N3O6/c21-12-9-27(30)10-13(22)17(12)26-18(28)11-2-3-15(33-20(23)24)16(8-11)31-6-1-5-25-14-4-7-32-19(14)29/h2-3,8-10,14,20,25H,1,4-7H2,(H,26,28) | PDB
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| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023415
(CHEMBL3327324)Show SMILES OCCC(NCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C21H23Cl2F2N3O6/c22-13-10-26-11-14(23)18(13)28-19(30)12-3-4-16(34-21(24)25)17(9-12)33-8-2-1-6-27-15(5-7-29)20(31)32/h3-4,9-11,15,21,27,29H,1-2,5-8H2,(H,31,32)(H,26,28,30) | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023418
(CHEMBL3327327)Show SMILES [O-][n+]1cc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCCCNC3CCOC3=O)c2)c(Cl)c1 Show InChI InChI=1S/C20H19Cl2F2N3O6/c21-12-9-27(30)10-13(22)17(12)26-18(28)11-2-3-15(33-20(23)24)16(8-11)31-6-1-5-25-14-4-7-32-19(14)29/h2-3,8-10,14,20,25H,1,4-7H2,(H,26,28) | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023415
(CHEMBL3327324)Show SMILES OCCC(NCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C21H23Cl2F2N3O6/c22-13-10-26-11-14(23)18(13)28-19(30)12-3-4-16(34-21(24)25)17(9-12)33-8-2-1-6-27-15(5-7-29)20(31)32/h3-4,9-11,15,21,27,29H,1-2,5-8H2,(H,31,32)(H,26,28,30) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023409
(CHEMBL3327318)Show SMILES OCCC(NCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C20H21Cl2F2N3O6/c21-12-9-25-10-13(22)17(12)27-18(29)11-2-3-15(33-20(23)24)16(8-11)32-7-1-5-26-14(4-6-28)19(30)31/h2-3,8-10,14,20,26,28H,1,4-7H2,(H,30,31)(H,25,27,29) | PDB
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| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023420
(CHEMBL3327329)Show SMILES OC(=O)CNCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H17Cl2F2N3O5/c19-11-7-24-8-12(20)16(11)25-17(28)10-2-3-13(30-18(21)22)14(6-10)29-5-1-4-23-9-15(26)27/h2-3,6-8,18,23H,1,4-5,9H2,(H,26,27)(H,24,25,28) | PDB
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| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023420
(CHEMBL3327329)Show SMILES OC(=O)CNCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H17Cl2F2N3O5/c19-11-7-24-8-12(20)16(11)25-17(28)10-2-3-13(30-18(21)22)14(6-10)29-5-1-4-23-9-15(26)27/h2-3,6-8,18,23H,1,4-5,9H2,(H,26,27)(H,24,25,28) | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023410
(CHEMBL3327319)Show SMILES OCC[C@@H](NCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O |r| Show InChI InChI=1S/C20H21Cl2F2N3O6/c21-12-9-25-10-13(22)17(12)27-18(29)11-2-3-15(33-20(23)24)16(8-11)32-7-1-5-26-14(4-6-28)19(30)31/h2-3,8-10,14,20,26,28H,1,4-7H2,(H,30,31)(H,25,27,29)/t14-/m1/s1 | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023409
(CHEMBL3327318)Show SMILES OCCC(NCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O Show InChI InChI=1S/C20H21Cl2F2N3O6/c21-12-9-25-10-13(22)17(12)27-18(29)11-2-3-15(33-20(23)24)16(8-11)32-7-1-5-26-14(4-6-28)19(30)31/h2-3,8-10,14,20,26,28H,1,4-7H2,(H,30,31)(H,25,27,29) | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50023411
(CHEMBL3327320)Show SMILES OCC[C@H](NCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O |r| Show InChI InChI=1S/C20H21Cl2F2N3O6/c21-12-9-25-10-13(22)17(12)27-18(29)11-2-3-15(33-20(23)24)16(8-11)32-7-1-5-26-14(4-6-28)19(30)31/h2-3,8-10,14,20,26,28H,1,4-7H2,(H,30,31)(H,25,27,29)/t14-/m0/s1 | PDB
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023410
(CHEMBL3327319)Show SMILES OCC[C@@H](NCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O |r| Show InChI InChI=1S/C20H21Cl2F2N3O6/c21-12-9-25-10-13(22)17(12)27-18(29)11-2-3-15(33-20(23)24)16(8-11)32-7-1-5-26-14(4-6-28)19(30)31/h2-3,8-10,14,20,26,28H,1,4-7H2,(H,30,31)(H,25,27,29)/t14-/m1/s1 | PDB
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| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50023411
(CHEMBL3327320)Show SMILES OCC[C@H](NCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O |r| Show InChI InChI=1S/C20H21Cl2F2N3O6/c21-12-9-25-10-13(22)17(12)27-18(29)11-2-3-15(33-20(23)24)16(8-11)32-7-1-5-26-14(4-6-28)19(30)31/h2-3,8-10,14,20,26,28H,1,4-7H2,(H,30,31)(H,25,27,29)/t14-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amakem N.V.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay |
Bioorg Med Chem Lett 24: 4594-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH |
More data for this
Ligand-Target Pair | |
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